Cas no 5788-94-3 (Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI))

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI) structure
5788-94-3 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI)
CAS No:5788-94-3
MF:C28H38O5
MW:454.59832906723
CID:379541
PubChem ID:268945
Update Time:2025-04-19

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI)
    • (22R)-5,6β-Epoxy-22,27-dihydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic acid δ-lactone
    • Jaborosalactone A
    • (+)-3-[3-[N-[4,5-dimethoxybenzocyclobutan-1(S)-ylmethyl]-N-methylamino]propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride
    • 3-{3-[{[(7S)-3,4-dimethoxybicyclo[4,2,0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]-propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride
    • Coralan
    • Ivabradine HCl
    • Ivabradine hydrochloride
    • Iva-Val-StaP-OEt
    • Procoralan (TN)
    • S-16257
    • UNII-TP19837BZK
    • DTXSID70973479
    • 27-hydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
    • 5788-94-3
    • NSC109437
    • NSC-109437
    • Inchi: 1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3
    • InChI Key: PQCMITGKFWXOBO-UHFFFAOYSA-N
    • SMILES: O1C2CC3C4CCC(C(C)C5CC(C)=C(CO)C(=O)O5)C4(C)CCC3C3(C(C=CCC132)=O)C

Computed Properties

  • Exact Mass: 454.27192431g/mol
  • Monoisotopic Mass: 454.27192431g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 3
  • Complexity: 965
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 76.1?2

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI) Related Literature

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